SCHEMBL15547698
2-[(E)-3,3-dimethylbut-1-enyl]-4,5-dihydroxybenzene-1,3-dicarbonitrile
Molecular Identity
SCHEMBL15547698
2-[(E)-3,3-dimethylbut-1-enyl]-4,5-dihydroxybenzene-1,3-dicarbonitrile
PubChem CID: 72193629
2D Structure
Properties
C14H14N2O2
Molecular Formula
242.27
Molecular Weight
g/mol
242.1055
Exact Mass
Da
3.5
XLogP
Drug-like (Lipinski: < 5)
88
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
418
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(4)
SCHEMBL15547698ODM-104LFMXNUUAZFKXEP-SNAWJCMRSA-N(E)-2-(3,3-Dimethylbut-1-enyl)-4,5-dihydroxyisophthalonitrile
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to SCHEMBL15547698
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